BDBM50115848 (S)-3-(1H-Indol-3-yl)-2-[(R)-3-mercapto-2-((S)-5-methoxy-indan-1-yl)-propionylamino]-propionic acid::CHEMBL305388
SMILES: COc1ccc2[C@@H](CCc2c1)[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
InChI Key: InChIKey=YJSMEONIEBYZRH-SJBKTWHCSA-N
Data: 6 KI
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Angiotensin-converting enzyme (Homo sapiens (Human)) | BDBM50115848 ((S)-3-(1H-Indol-3-yl)-2-[(R)-3-mercapto-2-((S)-5-m...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon Laboratories Curated by ChEMBL | Assay Description Inhibition constant against angiotensin I converting enzyme | J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endothelin-converting enzyme 1 (ECE1) (Homo sapiens (Human)) | BDBM50115848 ((S)-3-(1H-Indol-3-yl)-2-[(R)-3-mercapto-2-((S)-5-m...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon Laboratories Curated by ChEMBL | Assay Description Inhibition constant against endothelin converting enzyme 1 | J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neprilysin (Oryctolagus cuniculus (rabbit)) | BDBM50115848 ((S)-3-(1H-Indol-3-yl)-2-[(R)-3-mercapto-2-((S)-5-m...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description In vitro inhibition of Neutral endopeptidase. | Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neprilysin (Homo sapiens (Human)) | BDBM50115848 ((S)-3-(1H-Indol-3-yl)-2-[(R)-3-mercapto-2-((S)-5-m...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon Laboratories Curated by ChEMBL | Assay Description Inhibitory concentration against neutral endopeptidase | J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin-converting enzyme (Rattus norvegicus) | BDBM50115848 ((S)-3-(1H-Indol-3-yl)-2-[(R)-3-mercapto-2-((S)-5-m...) | KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description In vitro inhibition of Angiotensin I converting enzyme. | Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endothelin-converting enzyme 1 (ECE1) (Homo sapiens (Human)) | BDBM50115848 ((S)-3-(1H-Indol-3-yl)-2-[(R)-3-mercapto-2-((S)-5-m...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description In vitro inhibition of endothelin converting enzyme. | Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4 | |||||||||||
More data for this Ligand-Target Pair |